ASP-8302

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32ClN7O3S2
Molecular Weight	590.16
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCCN1CC2=C(N=C(NC(=O)C3=NC=C(N=C3)N4CCN(CCC(O)=O)[C@@H](C)C4)S2)C5=CC(Cl)=CS5

InChI

InChIKey=QEVOTPLHYBIHKJ-SJORKVTESA-N

InChI=1S/C26H32ClN7O3S2/c1-16-4-3-6-33(16)14-21-24(20-10-18(27)15-38-20)30-26(39-21)31-25(37)19-11-29-22(12-28-19)34-9-8-32(17(2)13-34)7-5-23(35)36/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,35,36)(H,30,31,37)/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H32ClN7O3S2
Molecular Weight	590.16
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:52:40 GMT 2025` Edited by `admin` on `Wed Apr 02 20:52:40 GMT 2025`
Record UNII	2CMX9GYR6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP-8302

Code

English

ASP8302

Preferred Name

English

(2S)-4-[5-[[[4-(4-Chloro-2-thienyl)-5-[[(2R)-2-methyl-1-pyrrolidinyl]methyl]-2-thiazolyl]amino]carbonyl]-2-pyrazinyl]-2-methyl-1-piperazinepropanoic acid

Systematic Name

English

1-Piperazinepropanoic acid, 4-[5-[[[4-(4-chloro-2-thienyl)-5-[[(2R)-2-methyl-1-pyrrolidinyl]methyl]-2-thiazolyl]amino]carbonyl]-2-pyrazinyl]-2-methyl-, (2S)-

Systematic Name

English

3-[(2S)-4-(5-f[4-(4-chlorothiophen-2-yl)-5-f[(2R)-2-methylpyrrolidin-1-yl]methylg-1,3-thiazol-2-yl]carbamoylgpyrazin-2-yl)-2-methylpiperazin-1-yl]propanoic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

2CMX9GYR6H

Created by admin on Wed Apr 02 20:52:40 GMT 2025 , Edited by admin on Wed Apr 02 20:52:40 GMT 2025

PRIMARY

CAS

1839583-42-4

Created by admin on Wed Apr 02 20:52:40 GMT 2025 , Edited by admin on Wed Apr 02 20:52:40 GMT 2025

PRIMARY

SMS_ID

300000047584

Created by admin on Wed Apr 02 20:52:40 GMT 2025 , Edited by admin on Wed Apr 02 20:52:40 GMT 2025

PRIMARY

PUBCHEM

126741248

Created by admin on Wed Apr 02 20:52:40 GMT 2025 , Edited by admin on Wed Apr 02 20:52:40 GMT 2025

PRIMARY

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